Information card for entry 7102259

Structure parameters

• Formula: C33.81 H45.81 Cl7.43 N4 Ni O3
• Calculated formula: C33.81 H45.81 Cl7.43 N4 Ni O3
• Title of publication: A versatile electronic hole in one-electron oxidized NiIIbis-salicylidene phenylenediamine complexes.
• Authors of publication: Rotthaus, Olaf; Jarjayes, Olivier; Perez Del Valle, Carlos; Philouze, Christian; Thomas, Fabrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4462 - 4464
• a: 10.934 ± 0.001 Å
• b: 20.635 ± 0.002 Å
• c: 18.842 ± 0.002 Å
• α: 90°
• β: 100.24 ± 0.02°
• γ: 90°
• Cell volume: 4183.5 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections: 1.943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No